Mol:LBF20306HO05
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 23 22 0 0 1 0 0 0 0 0999 V2000 | + | 23 22 0 0 1 0 0 0 0 0999 V2000 |
− | -3.2110 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2110 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9260 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9260 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9260 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9260 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2110 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2110 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4974 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4974 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4974 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4974 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7838 0.4132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.7838 0.4132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -1.0701 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0701 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3565 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3565 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3571 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3571 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0707 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0707 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7843 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7843 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4980 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4980 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6724 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6724 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9588 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9588 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2451 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2451 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4685 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4685 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1821 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1821 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8957 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8957 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7838 1.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7838 1.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2116 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2116 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2116 -0.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2116 -0.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9260 0.4146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9260 0.4146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 1 6 2 0 0 0 0 | + | 1 6 2 0 0 0 0 |
− | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 5 14 2 0 0 0 0 | + | 5 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 7 20 1 1 0 0 0 | + | 7 20 1 1 0 0 0 |
− | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
− | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
− | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBF20306HO05 | + | ID LBF20306HO05 |
− | FORMULA C20H34O3 | + | FORMULA C20H34O3 |
− | EXACTMASS 322.25079495399996 | + | EXACTMASS 322.25079495399996 |
− | AVERAGEMASS 322.48216 | + | AVERAGEMASS 322.48216 |
− | SMILES C(CC=CCC=CC=CC(CCCCCCC(O)=O)O)CCC | + | SMILES C(CC=CCC=CC=CC(CCCCCCC(O)=O)O)CCC |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 23 22 0 0 1 0 0 0 0 0999 V2000 -3.2110 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9260 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9260 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4974 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4974 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7838 0.4132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0701 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3565 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3571 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0707 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7843 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6724 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9588 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2451 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4685 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1821 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8957 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7838 1.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2116 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2116 -0.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9260 0.4146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 1 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 5 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 7 20 1 1 0 0 0 13 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 S SKP 5 ID LBF20306HO05 FORMULA C20H34O3 EXACTMASS 322.25079495399996 AVERAGEMASS 322.48216 SMILES C(CC=CCC=CC=CC(CCCCCCC(O)=O)O)CCC M END